Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50128857'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128857 (16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricy...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)N1CCCCCC1 |c:7,t:9| Show InChI InChI=1S/C26H31ClN2O7/c1-16-12-22-21(36-22)9-5-4-8-17(28-34-15-23(32)29-10-6-2-3-7-11-29)13-18-24(26(33)35-16)19(30)14-20(31)25(18)27/h4-5,8-9,14,16,21-22,30-31H,2-3,6-7,10-13,15H2,1H3/b8-4+,9-5-,28-17+/t16-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
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